2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol

C11H19NOS — CID 130952217

IUPAC2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol
SMILESCC(C)(C)C(C)(C)C(O)c1ccns1
InChIInChI=1S/C11H19NOS/c1-10(2,3)11(4,5)9(13)8-6-7-12-14-8/h6-7,9,13H,1-5H3
InChIKeyHIWJAXQZEGODOB-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.25
Rot. Bonds2

About 2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol

2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol (PubChem CID 130952217) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol
PubChem CID130952217
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol
SMILESCC(C)(C)C(C)(C)C(O)c1ccns1
InChIInChI=1S/C11H19NOS/c1-10(2,3)11(4,5)9(13)8-6-7-12-14-8/h6-7,9,13H,1-5H3
InChIKeyHIWJAXQZEGODOB-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913778
(3,3-Difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol
CID 130826100
2-(2,2-Difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 164652164
2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
(1S)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913777
2,2-Dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
CID 130697692
3-(1,2-Thiazol-5-yl)butan-2-ol
CID 130801038
2-Methyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130826090
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
2-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130840879

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol?
The IUPAC name of 2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol (CID 130952217) is 2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol is CC(C)(C)C(C)(C)C(O)c1ccns1.
What is the InChIKey of 2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol?
The InChIKey is HIWJAXQZEGODOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-10(2,3)11(4,5)9(13)8-6-7-12-14-8/h6-7,9,13H,1-5H3.
What are the key properties of 2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol?
2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 130952217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).